1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one

C16H24N2O3S — CID 138531816

IUPAC1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)C)c2)CC1
InChIInChI=1S/C16H24N2O3S/c1-4-16(19)17-8-10-18(11-9-17)22(20,21)15-7-5-6-14(12-15)13(2)3/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyMOOUWUGOTKYAAU-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.05
Rot. Bonds4

About 1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one

1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 138531816) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID138531816
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)C)c2)CC1
InChIInChI=1S/C16H24N2O3S/c1-4-16(19)17-8-10-18(11-9-17)22(20,21)15-7-5-6-14(12-15)13(2)3/h5-7,12-13H,4,8-11H2,1-3H3
InChIKeyMOOUWUGOTKYAAU-UHFFFAOYSA-N
XLogP2.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 138531753
1-[4-(3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796550
1-[4-(2-methoxy-4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817219
1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
CID 39968648
1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817215
1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974927
1-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]propan-1-one
CID 110817153
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 9369509
3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]ethanone
CID 9132300
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]ethanone
CID 9132302
1-[4-(3-chloro-4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817212

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 138531816) is 1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one is CCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)C)c2)CC1.
What is the InChIKey of 1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is MOOUWUGOTKYAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-16(19)17-8-10-18(11-9-17)22(20,21)15-7-5-6-14(12-15)13(2)3/h5-7,12-13H,4,8-11H2,1-3H3.
What are the key properties of 1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 324.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 138531816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).